Vitas-M small molecule compound
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK206846
SMILES CCCC1=NN(C(=O)/C/1=C/c1ccc2c(c1)OCO2)c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-2-3-17-16(10-13-4-9-18-19(11-13)28-12-27-18)20(24)22(21-17)14-5-7-15(8-6-14)23(25)26/h4-11H,2-3,12H2,1H3/b16-10+InChIKey
FBAYGSFZMKQHFB-MHWRWJLKSA-NSynonyms
372507-98-7(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(4NITROPHENYL)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(4NITROPHENYL)5PROPYLPYRAZOL3ONE
(E)4(benzo(d)(13)dioxol5ylmethylene)1(4nitrophenyl)3propyl1Hpyrazol5(4H)one
372507987
4(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)1(4NITROPHENYL)3PROPYL12DIAZOLIN5ONE
CCCC1=NN(C(=O)C1=Cc1ccc2c(c1)OCO2)c1ccc(cc1)(N+)(=O)(O)
CCCC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H17N3O5c1231716(1013491819(1113)28122718)20(24)22(2117)145715(8614)23(25)26h411H2312H21H3b1610+
MFCD01945394
ZINC000100163351
ZINC100163351
Check stock
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Check stock on Vitas-MAvailable files
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